N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,5-difluorobenzamide

C19H13F2N5O — CID 127026496

IUPACN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,5-difluorobenzamide
SMILESNc1nccn2c(-c3cccc(NC(=O)c4cc(F)cc(F)c4)c3)cnc12
InChIInChI=1S/C19H13F2N5O/c20-13-6-12(7-14(21)9-13)19(27)25-15-3-1-2-11(8-15)16-10-24-18-17(22)23-4-5-26(16)18/h1-10H,(H2,22,23)(H,25,27)
InChIKeyBRLIJHQUGRRESL-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.51
Rot. Bonds3

About N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,5-difluorobenzamide

N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,5-difluorobenzamide (PubChem CID 127026496) has the molecular formula C19H13F2N5O and a molecular weight of 365.34 g/mol. Its IUPAC name is N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,5-difluorobenzamide
PubChem CID127026496
Molecular FormulaC19H13F2N5O
Molecular Weight365.34 g/mol
Exact Mass365.11
IUPAC NameN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,5-difluorobenzamide
SMILESNc1nccn2c(-c3cccc(NC(=O)c4cc(F)cc(F)c4)c3)cnc12
InChIInChI=1S/C19H13F2N5O/c20-13-6-12(7-14(21)9-13)19(27)25-15-3-1-2-11(8-15)16-10-24-18-17(22)23-4-5-26(16)18/h1-10H,(H2,22,23)(H,25,27)
InChIKeyBRLIJHQUGRRESL-UHFFFAOYSA-N
XLogP3.51
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,5-difluorobenzamide?
The IUPAC name of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,5-difluorobenzamide (CID 127026496) is N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,5-difluorobenzamide is Nc1nccn2c(-c3cccc(NC(=O)c4cc(F)cc(F)c4)c3)cnc12.
What is the InChIKey of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,5-difluorobenzamide?
The InChIKey is BRLIJHQUGRRESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O/c20-13-6-12(7-14(21)9-13)19(27)25-15-3-1-2-11(8-15)16-10-24-18-17(22)23-4-5-26(16)18/h1-10H,(H2,22,23)(H,25,27).
What are the key properties of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,5-difluorobenzamide?
N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,5-difluorobenzamide has a molecular weight of 365.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,5-difluorobenzamide is sourced from PubChem (CID 127026496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).